Wed May 08 11:22:46.023 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 11:22:46.038 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P5_66\1\pdata\1
Wed May 08 11:22:46.054 CEST 2019: Solvent of PROTON: H2O
Wed May 08 11:22:46.070 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 11:22:46.085 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 11:22:46.132 CEST 2019: No HSQC data available
Wed May 08 11:22:46.179 CEST 2019: No C13 data available
Wed May 08 11:22:46.210 CEST 2019: No HMBC data available
Wed May 08 11:22:46.226 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 11:22:46.288 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 11:22:46.836 CEST 2019: Structure is used: true
Wed May 08 11:22:46.868 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P5_66/1/F06.mol
Wed May 08 11:22:46.883 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.58 s.
Wed May 08 11:22:46.905 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 11:22:46.921 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 11:22:46.921 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 11:22:46.936 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 11:22:46.952 CEST 2019: Spectrum is suppressed.
Wed May 08 11:22:46.952 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 11:22:46.967 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 11:22:46.983 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 11:22:46.999 CEST 2019: Expected impurity: TSP
Wed May 08 11:22:46.999 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 11:22:47.016 CEST 2019: Expected impurity: CustomImpurity [isActive=true, identifier=Imp1, protonShiftLimitAPpm=2.4, protonShiftLimitBPpm=2.5, protonMultiplicity=other, protonCouplingHz=[], protonNumber=0, carbonShiftLimitAPpm=-100.0, carbonShiftLimitBPpm=-100.0, carbonNumber=0]
Wed May 08 11:22:47.031 CEST 2019: Expected impurity: CustomImpurity [isActive=true, identifier=Imp2, protonShiftLimitAPpm=2.7, protonShiftLimitBPpm=2.76, protonMultiplicity=other, protonCouplingHz=[], protonNumber=0, carbonShiftLimitAPpm=-100.0, carbonShiftLimitBPpm=-100.0, carbonNumber=0]
Wed May 08 11:22:47.031 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Wed May 08 11:22:47.047 CEST 2019: RMSD noise: 685.791 (-0.203/-0.703)
Wed May 08 11:22:47.062 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 11:22:47.078 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 11:22:47.078 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:22:47.141 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.05 s.
Wed May 08 11:22:47.375 CEST 2019: Number of Peaks: (39, 25)
Wed May 08 11:22:47.390 CEST 2019: Elapsed time for evaluation (PP Suite): 0.23 s.
Wed May 08 11:22:47.390 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 11:22:47.406 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:22:47.422 CEST 2019: Signal-to-Noise ratio: 4603.04 (2.837 ppm)
Wed May 08 11:22:47.422 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 11:22:47.437 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:22:47.453 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.56 s.
Wed May 08 11:22:47.484 CEST 2019: Number of Multiplets: 70
Wed May 08 11:22:47.484 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Wed May 08 11:22:47.595 CEST 2019: Number of Peak Cluster: 16
Wed May 08 11:22:47.595 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.10 s.
Wed May 08 11:22:47.674 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.07 s.
Wed May 08 11:22:48.065 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.37 s.
Wed May 08 11:22:48.096 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 11:22:48.112 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 11:22:48.128 CEST 2019: Number of consistent PNS: 3
Wed May 08 11:22:48.143 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 11:22:48.159 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 11:22:48.252 CEST 2019: Number of ASL: 32
Wed May 08 11:22:48.252 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.10 s.
Wed May 08 11:22:48.643 CEST 2019: Elapsed time for evaluation (IN Suite): 0.37 s.
Wed May 08 11:22:48.673 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 11:22:48.673 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 11:22:49.505 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.85 s.
Wed May 08 11:22:49.520 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:22:49.536 CEST 2019: CMC-q finished in 3.51 s.
